Information card for entry 7717187

Structure parameters

• Formula: C67 H72 N4 S4 Zn2
• Calculated formula: C46 H48 N4 S4 Zn2
• Title of publication: Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies
• Authors of publication: Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.9507 ± 0.001 Å
• b: 21.856 ± 0.002 Å
• c: 28.759 ± 0.003 Å
• α: 90°
• β: 90.715 ± 0.004°
• γ: 90°
• Cell volume: 6254.1 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No